Vitas-M small molecule compound

(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate

Catalog ID
STL042524
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C35H38N2O8 MW 614.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N2O8/c1-2-42-29-21-25(9-11-28(29)45-23-24-7-4-3-5-8-24)32-31(33(38)26-10-12-27-30(22-26)44-20-19-43-27)34(39)35(40)37(32)14-6-13-36-15-17-41-18-16-36/h3-5,7-12,21-22,32,38H,2,6,13-20,23H2,1H3/b33-31+
InChIKey
GMFUNKUDXKJXCX-QOSDPKFLSA-N
Synonyms

(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4PHENYLMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5)OCC6=CC=CC=C6
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC35H38N2O8c1242292125(91128(29)4523247435824)3231(33(38)2610122730(2226)4420194327)34(39)35(40)37(32)1461336151741181636h3571221223238H26132023H21H3b3331+
MFCD18248169
ZINC000102869407
ZINC000102869409

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Available files

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